Molecule
ID:84869
General Information
Molecular Formula
C₁₉H₁₄O
Molecular Mass
258.31386
Exact Mass
258.10446507
Charge
0
InChI
InChI=1S/C19H14O/c20-19(17-7-2-1-3-8-17)13-11-15-10-12-16-6-4-5-9-18(16)14-15/h1-14H
InChIKey
PPOCACRLAHOHAW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/c1ccc2c(c1)cccc2
Isomeric Smiles
O=C(c1ccccc1)/C=C/c1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
16.833307
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.879802
LogD (pH = 7.4)
4.879802
Log P
4.879802
Molar Refractivity
83.3272
Polarizability
33.024376
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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